Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation
Abstract
:1. Introduction
2. Results and Discussion
3. Materials and Methods
3.1. Methods of Conducting Catalytic Dehydrogenation Reactions
3.2. Chromatographic Analysis
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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Hydrocarbon | Cis- | Trans- | ||
---|---|---|---|---|
C, % | m. p., °C | C, % | m. p., °C | |
Decalin | 39 | 195 | 61 | 186 |
Perhydro-o-terphenyl | 25 | 16–19 | 75 | 47 |
Perhydro-m-terphenyl | 20 | 20–25 | 80 | 62 |
Perhydro-p-terphenyl | 55 | 48 | 45 | 164 |
Reaction Order | Formula for the Rate Constant |
---|---|
1 | kI = 1/t × ln(Co/C) |
2 | kII = 1/t × (Co − C)/(Co × C) |
T, °C | |||||||||
---|---|---|---|---|---|---|---|---|---|
250 | 270 | 280 | 290 | 300 | 310 | 320 | 330 | 340 | |
X, % | 29 | 40 | 55.8 | 62 | 81 | 82 | 97 | 98.4 | 99 |
kI, h−1 | 0.223 | 0.511 | 0.816 | 0.968 | 1.661 | 1.714 | 3.506 | 4.135 | 4.605 |
kII, h−1 | 0.025 | 0.007 | 0.013 | 0.016 | 0.043 | 0.046 | 0.323 | 0.615 | 0.990 |
Substrate | T, °C | |||||
---|---|---|---|---|---|---|
300 | 310 | 320 | 330 | 340 | ||
Bicyclohexyl | kI, h−1 | 1.152 | 2.813 | 4.605 | 5.298 | 6.908 |
kII, h−1 | 0.022 | 0.157 | 0.990 | 1.990 | 9.990 | |
cis-Decalin | kI, h−1 | 0.800 | 3.000 | 3.219 | 3.507 | 4.605 |
kII, h−1 | 0.012 | 0.190 | 0.240 | 0.323 | 0.990 | |
trans-Decalin | kI, h−1 | 0.261 | 0.777 | 0.916 | 0.968 | 1.171 |
kII, h−1 | 0.003 | 0.012 | 0.015 | 0.016 | 0.022 | |
cis-Perhydro-para-terphenyl | kI, h−1 | 2.501 | 2.303 | 2.733 | 3.507 | 4.605 |
kII, h−1 | 0.090 | 0.112 | 0.144 | 0.323 | 0.990 | |
trans-Perhydro-para-terphenyl | kI, h−1 | 1.966 | 2.526 | 3.000 | 3.507 | 3.912 |
kII, h−1 | 0.061 | 0.115 | 0.190 | 0.323 | 0.490 | |
cis-Perhydro-meta-terphenyl | kI, h−1 | 1.514 | 1.966 | 3.507 | 3.912 | 4.605 |
kII, h−1 | 0.035 | 0.061 | 0.323 | 0.490 | 0.990 | |
trans-Perhydro-meta-terphenyl | kI, h−1 | 1.427 | 1.833 | 3.219 | 3.689 | 4.200 |
kII, h−1 | 0.032 | 0.053 | 0.240 | 0.390 | 0.657 | |
cis-Perhydro-ortho-terphenyl | kI, h−1 | 1.897 | 1.833 | 1.772 | 1.743 | 1.715 |
kII, h−1 | 0.057 | 0.053 | 0.049 | 0.047 | 0.046 | |
trans-Perhydro-ortho-terphenyl | kI, h−1 | 1.599 | 1.619 | 1.660 | 1.687 | 1.714 |
kII, h−1 | 0.040 | 0.041 | 0.043 | 0.044 | 0.046 |
Substrate | Correlation Coefficients | ||
---|---|---|---|
RI | RII | RI/RII | |
Cyclohexane | 0.956 | 0.772 | 1.24 |
cis-Decalin | 0.924 | 0.881 | 1.05 |
trans-Decalin | 0.929 | 0.963 | 0.97 |
Bicyclohexyl | 0.992 | 0.822 | 1.21 |
cis-Perhydro-para-terphenyl | 0.941 | 0.839 | 1.12 |
trans-Perhydro-para-terphenyl | 0.979 | 0.975 | 1.02 |
cis-Perhydro-meta-terphenyl | 0.979 | 0.948 | 1.03 |
trans-Perhydro-meta-terphenyl | 0.978 | 0.968 | 1.01 |
cis-Perhydro-ortho-terphenyl | −0.981 | −0.976 | 1.004 |
trans-Perhydro-ortho-terphenyl | 0.996 | 0.996 | 1.00 |
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Kalenchuk, A.N.; Kustov, L.M. Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation. Molecules 2022, 27, 2236. https://doi.org/10.3390/molecules27072236
Kalenchuk AN, Kustov LM. Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation. Molecules. 2022; 27(7):2236. https://doi.org/10.3390/molecules27072236
Chicago/Turabian StyleKalenchuk, Alexander N., and Leonid M. Kustov. 2022. "Kinetic Modeling of Hydrogen Production by Dehydrogenation of Polycyclic Naphthenes with Varying Degrees of Condensation" Molecules 27, no. 7: 2236. https://doi.org/10.3390/molecules27072236